Ethyl Benzoate
fo-b52adf34db96276d
Identity
- Type
- Neutral molecule
- CAS
- 93-89-0
- EC
- 202-284-3
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 56 across every transformer
Structure
Alternative labels
5- benzoic acid ethyl ester
- Benzoic acid, ethyl ester
- benzoic ether
- benzoyl ethyl ether
- ethyl benzenecarboxylate
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | MTZQAGJQAFMTAQ-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C9H10O2/c1-2-11-9(10)8-6-4-3-5-7-8/h3-7H,2H2,1H3 |
| IUPAC name chemrof:IUPAC_name | Ethyl Benzoate |
| Molecular formula chemrof:molecular_formula | C9H10O2 |
| Molecular mass chemrof:molecular_mass | 150.177 |
| Monoisotopic mass chemrof:monoisotopic_mass | 150.06808 |
| SMILES string chemrof:smiles_string | CCOC(=O)c1ccccc1 |
Known URLs
24Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.
| Resource | URL | Recorded by |
|---|---|---|
| agr | agr:IND605312045 | enrich_references.chebi_xrefs |
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=93-89-0 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:156074 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.002.078 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID3038696 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=8884 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL510714 | enrich_references.pubchem_identifier_url |
| femaflavor.org | https://www.femaflavor.org/flavor-library/ethyl-benzoate | enrich_references.pubchem_identifier_url |
| foodb.food | foodb.food:FDB012197 | enrich_references.chebi_xrefs |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/J115BRJ15H | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0033967 | enrich_references.chebi_xrefs |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.220D | enrich_references.pubchem_identifier_url |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=46314 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/7165 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=018030 | enrich_references.pubchem_identifier_url |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/21450321 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/24444918 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/30154355 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/30885715 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/31802659 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/31952118 | enrich_references.chebi_xrefs |
| reaxys | reaxys:1908172 | enrich_references.chebi_xrefs |
| Wikidata | https://www.wikidata.org/wiki/Q421100 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/Ethyl_benzoate | enrich_references.chebi_xrefs |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| ed35f306-71b5-4081-bee0-f0d6174c81e6 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| a5b92752-94f6-4274-af66-0b09bac4f688 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| 46dcb872-e05b-44cf-8fc2-65ccf2ba7a5d | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| 2bde9eb1-746c-44e9-8382-0e39a4e21cbc | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 3a2b9586-ec1e-4399-a2b5-6b64779340c8 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| e388a32f-f8b8-4f17-9f13-915acd3eb537 | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| 3830536f-f4b1-438b-8896-32dfcf59867b | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| fd7a8314-9955-46ff-8cae-784e7cc8463e | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| 247b681f-ad9c-42dc-a531-944cfedfe177 | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| 62305dc4-55bc-4d6c-a630-5606dcbc6dd1 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 161ea66c-6980-47ca-8851-db6789bedcb7 | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| d6c2a826-f243-4557-9a30-78893a30df36 | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| fa8ab354-d49f-4eae-912d-042a62612ff4 | Environmental → Water → Unknown | EF 3.1 | kg | 2 |
History
Everything that changed this substance (56 changes)
Full record
Flow object JSON
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Something wrong here?
- This substance is published under the wrong name
- This is not that chemical
- This record is two substances, or it is a second copy of one
You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works